2-[(3-bromophenyl)methyl]-N-[3-(methylamino)propyl]butanamide;hydrochloride

C15H24BrClN2O — CID 119433677

IUPAC2-[(3-bromophenyl)methyl]-N-[3-(methylamino)propyl]butanamide;hydrochloride
SMILESCCC(Cc1cccc(Br)c1)C(=O)NCCCNC.Cl
InChIInChI=1S/C15H23BrN2O.ClH/c1-3-13(15(19)18-9-5-8-17-2)10-12-6-4-7-14(16)11-12;/h4,6-7,11,13,17H,3,5,8-10H2,1-2H3,(H,18,19);1H
InChIKeyYPDVNEUCLOYWGN-UHFFFAOYSA-N
MW363.73 g/mol
LogP3.17
Rot. Bonds8

About 2-[(3-bromophenyl)methyl]-N-[3-(methylamino)propyl]butanamide;hydrochloride

2-[(3-bromophenyl)methyl]-N-[3-(methylamino)propyl]butanamide;hydrochloride (PubChem CID 119433677) has the molecular formula C15H24BrClN2O and a molecular weight of 363.73 g/mol. Its IUPAC name is 2-[(3-bromophenyl)methyl]-N-[3-(methylamino)propyl]butanamide;hydrochloride.

Molecular Properties

Compound Name2-[(3-bromophenyl)methyl]-N-[3-(methylamino)propyl]butanamide;hydrochloride
PubChem CID119433677
Molecular FormulaC15H24BrClN2O
Molecular Weight363.73 g/mol
Exact Mass362.08
IUPAC Name2-[(3-bromophenyl)methyl]-N-[3-(methylamino)propyl]butanamide;hydrochloride
SMILESCCC(Cc1cccc(Br)c1)C(=O)NCCCNC.Cl
InChIInChI=1S/C15H23BrN2O.ClH/c1-3-13(15(19)18-9-5-8-17-2)10-12-6-4-7-14(16)11-12;/h4,6-7,11,13,17H,3,5,8-10H2,1-2H3,(H,18,19);1H
InChIKeyYPDVNEUCLOYWGN-UHFFFAOYSA-N
XLogP3.17
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.73
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[(3-bromophenyl)methyl]-N-[2-(methylamino)propyl]butanamide;hydrochloride
CID 120829194
N-[2-(3-bromophenyl)ethyl]-2-(hydroxymethyl)butanamide
CID 115186719
N-(3-aminopropyl)-2-[(3-bromophenyl)methyl]-4-methylsulfonylbutanamide
CID 119407481
ethyl 2-[(3-bromophenyl)methyl]-3-(methylamino)propanoate
CID 44890952
2-[[2-[(3-bromophenyl)methyl]butanoylamino]methyl]-1,3-thiazole-4-carboxylic acid
CID 119245274
2-[4-[[2-[(3-bromophenyl)methyl]butanoylamino]methyl]triazol-1-yl]acetic acid
CID 120698116
2-(3-bromophenoxy)-N-[3-(methylamino)propyl]-2-phenylacetamide;hydrochloride
CID 119432773
N'-[(3-bromophenyl)methyl]-N-methylbutane-1,4-diamine
CID 115201979
(2S)-2-amino-N-[(3-bromophenyl)methyl]butanamide;hydrochloride
CID 119279834
1-(3-bromophenyl)-N-[3-(methylamino)propyl]pyrazole-3-carboxamide;hydrochloride
CID 119434260
2-(3-bromophenyl)-N-propylacetamide
CID 4084138
2-[(3-bromophenyl)methyl]pentanoyl chloride
CID 150172455

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromophenyl)methyl]-N-[3-(methylamino)propyl]butanamide;hydrochloride?
The IUPAC name of 2-[(3-bromophenyl)methyl]-N-[3-(methylamino)propyl]butanamide;hydrochloride (CID 119433677) is 2-[(3-bromophenyl)methyl]-N-[3-(methylamino)propyl]butanamide;hydrochloride.
What is the SMILES notation for 2-[(3-bromophenyl)methyl]-N-[3-(methylamino)propyl]butanamide;hydrochloride?
The canonical SMILES for 2-[(3-bromophenyl)methyl]-N-[3-(methylamino)propyl]butanamide;hydrochloride is CCC(Cc1cccc(Br)c1)C(=O)NCCCNC.Cl.
What is the InChIKey of 2-[(3-bromophenyl)methyl]-N-[3-(methylamino)propyl]butanamide;hydrochloride?
The InChIKey is YPDVNEUCLOYWGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2O.ClH/c1-3-13(15(19)18-9-5-8-17-2)10-12-6-4-7-14(16)11-12;/h4,6-7,11,13,17H,3,5,8-10H2,1-2H3,(H,18,19);1H.
What are the key properties of 2-[(3-bromophenyl)methyl]-N-[3-(methylamino)propyl]butanamide;hydrochloride?
2-[(3-bromophenyl)methyl]-N-[3-(methylamino)propyl]butanamide;hydrochloride has a molecular weight of 363.73 g/mol, XLogP of 3.17, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromophenyl)methyl]-N-[3-(methylamino)propyl]butanamide;hydrochloride is sourced from PubChem (CID 119433677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).